N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide

C8H16N4O2S — CID 62748511

IUPACN-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1[nH]cnc1CNCCNS(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-7-8(11-6-10-7)5-9-3-4-12-15(2,13)14/h6,9,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyAYULJQVCDMREJO-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.64
Rot. Bonds6

About N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 62748511) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
PubChem CID62748511
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1[nH]cnc1CNCCNS(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-7-8(11-6-10-7)5-9-3-4-12-15(2,13)14/h6,9,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyAYULJQVCDMREJO-UHFFFAOYSA-N
XLogP-0.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-{[(4-Methyl-1H-imidazol-5-yl)methyl]sulfanyl}ethyl)imino]-1lambda~6~,2,4-thiadiazinane-1,1-dione
CID 23275261
3-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]thiourea hydrochloride
CID 139026625
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
(1,1-dioxidotetrahydro-3-thienyl)ethyl[(4-methyl-1H-imidazol-5-yl)methyl]amine
CID 50972783
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(methylsulfonyl)piperazine
CID 91837499
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(methylsulfonyl)-1,4-diazepane
CID 91838416
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
1-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]thiourea
CID 57137672
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
2-methyl-N-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]propane-2-sulfinamide
CID 163294704
butan-2-yl-oxido-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]sulfanium
CID 175955271
Cimetidine Impurity 5
CID 12783961

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide (CID 62748511) is N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide is Cc1[nH]cnc1CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is AYULJQVCDMREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-7-8(11-6-10-7)5-9-3-4-12-15(2,13)14/h6,9,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 62748511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).